(R)-3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-butyric acid
Basic information
- CAS
252989-70-1- Standard SMILES
C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1- InChIKey
POPLTANACXUDAZ-UKRRQHHQSA-N- Molecular formula
- C18H31N3O4
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.23145648
Names & identifiers
- Preferred name
- (R)-3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-butyric acid
- IUPAC
- (3R)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid
Names & synonyms
CHEMBL148930SCHEMBL7502431DTXSID101120656BDBM50083463(R)-3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-butyric acid252989-70-1(3R)-3-({(3R)-1-[3-(Piperidin-4-yl)propanoyl]piperidine-3-carbonyl}amino)butanoic acid(3R)-3-[[[(3R)-1-[1-Oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]carbonyl]amino]butanoic acid
Database identifiers
- CAS
252989-70-1- PubChem CID
- 44366226
- DTXSID
DTXSID101120656- ChEMBL
CHEMBL148930
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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